SCHEMBL9939557

SCHEMBL9939557

CC(=O)Nc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK8 P45983 1/20 0.38
GRM5 P41594 2/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
GBA1 P04062 1/20 0.36
PTK2 Q05397 1/20 0.36
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16621984 0.90 RXFP1 (0.46) RXFP1CNR1LMNAGRM5RAB9A
SCHEMBL9939768 0.87 RXFP1 (0.43) RXFP1CNR1ADORA3LMNAGRM5
SCHEMBL9939767 0.84 HSD11B1 (0.43) RXFP1LMNAKDM4EMEN1KMT2A
SCHEMBL16621982 0.83 RXFP1 (0.40) RXFP1GRM5RAB9ANPC1GBA1
SCHEMBL9939437 0.83 RXFP1 (0.39) RXFP1LMNAKDM4EMEN1KMT2A
SCHEMBL16621987 0.81 NAMPT (0.42) RXFP1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL16621985 0.81 FBP1 (0.38) RXFP1LMNAGRM5
SCHEMBL9939755 0.79 SCN9A (0.41) RXFP1LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9939637 0.78 RXFP1 (0.44) RXFP1CNR1GRM5RAB9ANPC1
SCHEMBL9939469 0.76 CNR1 (0.44) RXFP1CNR1CNR2ADORA3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B RXFP1 3462/4885CNR1 3920/4885CNR2 4140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.